Details
Stereochemistry | ACHIRAL |
Molecular Formula | C15H13F2N7O2S2 |
Molecular Weight | 425.436 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC3=C(F)C=CC=C3F
InChI
InChIKey=ARIOBGGRZJITQX-UHFFFAOYSA-N
InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15974571Curator's Comment: description was created based on several sources, including
https://www.google.com/patents/WO2002057240A1 | https://www.ncbi.nlm.nih.gov/pubmed/25591119
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15974571
Curator's Comment: description was created based on several sources, including
https://www.google.com/patents/WO2002057240A1 | https://www.ncbi.nlm.nih.gov/pubmed/25591119
3-Amino-N-(2,6-difluorophenyl)-5-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide (CDK1/2 INHIBITOR III) is potent inhibitor of Cyclin-dependent kinase 1/2 (IC50=0.6nM and 0,5nM) with marked antiproliferative activity.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2094127 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15974571 |
6.0E-4 µM [IC50] | ||
Target ID: CHEMBL2094128 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15974571 |
5.0E-4 µM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15974571
Compound activity was evaluates in vitro inhibition of cell proliferation in various human tumor cells, including HeLa (cervical adenocarcinoma), HCT-116 (colon carcinoma), A375 (malignant melanoma), SK-OV-3 (ovarian adenocarcinoma), MDA-MB-231 (breast carcinoma), and PC-3 (prostate adenocarcinoma). Cells were trypsinized and counted and 3000-8000 cells were added to each well
of a 96-well CytoStar tissue culture treated scintillating microplate. Cells were incubated for 24 hours in complete
medium at 37 oC in an atmosphere containing 5% CO2. Next, 1 of compound 3n (CDK1/2 INHIBITOR III) in 100% DMSO was added to the wells of the plate. DMSO only was added to control wells. Cells were incubated for 24 more hours in complete medium at 37oC in an atmosphere containing 5% CO2.
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443798-47-8
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DB07664
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5330812
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SUBSTANCE RECORD